TbS9
Alexandria ALEXAlex-ID: agm049579869 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_149_spg1
Tb10S19 TbS18
2025-01-01 21:50:59.579408
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049579869).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm049579869
data_agm049579869
_cell_length_a 9.78357
_cell_length_b 8.24755
_cell_length_c 8.36254
_cell_angle_alpha 72.81348
_cell_angle_beta 72.15443
_cell_angle_gamma 68.81683
_cell_volume 585.79241
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.14589 0.02857 0.87457 1.00000
Tb2 Tb 0.47245 0.45329 0.51433 1.00000
S1 S 0.22793 0.51866 0.21649 1.00000
S2 S 0.51679 0.91675 0.31737 1.00000
S3 S 0.10846 0.69603 0.78518 1.00000
S4 S 0.88243 0.26163 0.24393 1.00000
S5 S 0.31383 0.25715 0.82241 1.00000
S6 S 0.74082 0.47158 0.76786 1.00000
S7 S 0.07980 0.69611 0.08430 1.00000
S8 S 0.42977 0.99407 0.88302 1.00000
S9 S 0.68214 0.27740 0.73584 1.00000
S10 S 0.94811 0.93308 0.76524 1.00000
S11 S 0.31556 0.73955 0.67818 1.00000
S12 S 0.66037 0.66357 0.37291 1.00000
S13 S 0.24555 0.29987 0.59252 1.00000
S14 S 0.70732 0.15627 0.37103 1.00000
S15 S 0.08021 0.06909 0.21167 1.00000
S16 S 0.40539 0.60295 0.20030 1.00000
S17 S 0.62929 0.08591 0.17630 1.00000
S18 S 0.90788 0.37846 0.88656 1.00000
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